V013-5576 Screening compound: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V013-5576 Screening compound: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V013-5576 Screening compound: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5576
3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V013-5576

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CN(C(c1c(N2c(cccc3)c3OC)ncn1CC=C)=O)C2=O

InChI

InChI=1S/C19H22N4O3/c1-5-10-21-12-20-17-16(21)18(24)22(11-13(2)3)19(25)23(17)14-8-6-7-9-15(14)26-4/h5-9,12-13H,1,10-11H2,2-4H3

InChI Key

ACZANRBQHZIBFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904358

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.34

Polar Surface Area

50.125

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with V013-5576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5576?
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What is the minimum amount of V013-5576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5576
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V013-5576 available by request